Structure of PDB 4bul Chain A Binding Site BS04

Receptor Information

>4bul Chain A (length=674) Species: 158879 (Staphylococcus aureus subsp. aureus N315)

KLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEK
ARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHI
RTLLLTFFYRFMRPLIEAGYVYIAQPPTGYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYARINERNITSE
MRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKS
ARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDG
AAAMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNL
LANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPD
FPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQ
VNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVI
LNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRT
QYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKL
SEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQ
LVRDELTEIRDRFGDDRRTEIQLG

Ligand information

>4bul Chain H (length=20)

agccgtaggtacaccgcaca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bul Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): E435 G436 D437 S438 R458 G459 K460 D512 R1033 K1043 H1046 H1079 H1081 G1082 S1085 R1092 R1272
• Binding residue (residue number reindexed from 1): E19 G20 D21 S22 R42 G43 K44 D96 R216 K226 H229 H262 H264 G265 S268 R275 R455

Enzymatic activity

• Enzyme Commision number: 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
• GO:0005524 ATP binding

Biological Process

• GO:0006259 DNA metabolic process
• GO:0006265 DNA topological change

External links

• PDB: RCSB:4bul, PDBe:4bul, PDBj:4bul
• PDBsum: 4bul
• PubMed: 23968823
• UniProt: P66937|GYRB_STAAN DNA gyrase subunit B (Gene Name=gyrB);
  Q99XG5|GYRA_STAAN DNA gyrase subunit A (Gene Name=gyrA)